Basic information
- CAS
135575-60-9- Standard SMILES
Cc1nc2ccc(Br)cc2c(=O)n1-c1nnc(SCC(O)CNc2cccc(Cl)c2)s1- InChIKey
ZZPNLGGAJLCKET-UHFFFAOYSA-N- Molecular formula
- C20H17BrClN5O2S2
- Average molar mass
- 538.9 g/mol
- Monoisotopic mass
- 536.96956
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 6-bromo-3-(5-((3-((3-chlorophenyl)amino)-2-hydroxypropyl)thio)-1,3,4-thiadiazol-2-yl)-2-methyl-
- IUPAC
- 6-bromo-3-[5-[3-(3-chloroanilino)-2-hydroxypropyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-methylquinazolin-4-one
Names & synonyms
BRN 4340413135575-60-94(3H)-Quinazolinone, 6-bromo-3-(5-((3-((3-chlorophenyl)amino)-2-hydroxypropyl)thio)-1,3,4-thiadiazol-2-yl)-2-methyl-RefChem:284274DTXSID809290686-Bromo-3-(5-{[3-(3-chloroanilino)-2-hydroxypropyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-methylquinazolin-4(3H)-one
Database identifiers
- CAS
135575-60-9- PubChem CID
- 64003
- DTXSID
DTXSID80929068- Nikkaji
- J385.707G
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 677
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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